SCHEMBL7247446

SCHEMBL7247446

c1ccc(Cn2cc(CC3CO3)cn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.51
▸ CYP19A1 P11511 1/20 0.42
▸ CREBBP Q92793 2/20 0.41
▸ SCD O00767 2/20 0.40
▸ SCD5 Q86SK9 2/20 0.40
▸ MAPT P10636 2/20 0.39
▸ MPO P05164 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ ERCC5 P28715 1/20 0.39
▸ SMYD2 Q9NRG4 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ KDM1A O60341 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ RIPK1 Q13546 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ LMNA P02545 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7247440 1.00 L3MBTL1 (0.51) L3MBTL1CYP19A1CREBBPSCDSCD5
SCHEMBL2413457 0.75 L3MBTL1 (0.62) L3MBTL1CYP19A1CREBBPMPOADORA2A
SCHEMBL51254 0.74 SLC6A2 (0.50) TDP1
SCHEMBL2186411 0.74 SLC6A2 (0.50) TDP1
SCHEMBL873444 0.74 SLC6A2 (0.50) TDP1
SCHEMBL19948883 0.74 L3MBTL1 (0.61) L3MBTL1CYP19A1CREBBPMPOADORA2A
SCHEMBL10085530 0.74 L3MBTL1 (0.61) L3MBTL1CYP19A1CREBBPMAPTMPO
SCHEMBL1244019 0.74 L3MBTL1 (0.61) L3MBTL1CYP19A1CREBBPMPOADORA2A
Hydrochloric Acid SCHEMBL3763491 0.74 L3MBTL1 (0.61) L3MBTL1CYP19A1CREBBPMAPTMPO
SCHEMBL9908393 0.74 L3MBTL1 (0.61) L3MBTL1CYP19A1CREBBPSCDSCD5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6617347-B1 Substituted pyrazoles are treatment of Type II diabetes and obesity. ELI LILLY AND COMPANY 2003-09-09 — — US disclosed
US-6232337-B1 USEFUL IN THE TREATMENT OF TYPE II DIABETES AND OBESITY ELI LILLY AND COMPANY 2001-05-15 — — US disclosed
US-6046227-A USEFUL IN THE TREATMENT OF TYPE II DIABETES AND OBESITY; A SUBSTITUTED PYRAZINE COMPOUND ELI LILLY AND COMPANY (US) 2000-04-04 — — US disclosed
WO-1999029673-A1 SELECTIVE β3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 1999-06-17 — — WO disclosed
EP-0921120-A1 Selective beta 3 adrenergic agonists ELI LILLY AND COMPANY (US) 1999-06-09 — — EP disclosed
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